2-(5-bromothiophen-2-yl)-2-piperidin-4-ylethanol

C11H16BrNOS — CID 116825149

IUPAC2-(5-bromothiophen-2-yl)-2-piperidin-4-ylethanol
SMILESOCC(c1ccc(Br)s1)C1CCNCC1
InChIInChI=1S/C11H16BrNOS/c12-11-2-1-10(15-11)9(7-14)8-3-5-13-6-4-8/h1-2,8-9,13-14H,3-7H2
InChIKeyUCJOFHHNYBLHKA-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.59
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-2-piperidin-4-ylethanol

2-(5-bromothiophen-2-yl)-2-piperidin-4-ylethanol (PubChem CID 116825149) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-2-piperidin-4-ylethanol.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-2-piperidin-4-ylethanol
PubChem CID116825149
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name2-(5-bromothiophen-2-yl)-2-piperidin-4-ylethanol
SMILESOCC(c1ccc(Br)s1)C1CCNCC1
InChIInChI=1S/C11H16BrNOS/c12-11-2-1-10(15-11)9(7-14)8-3-5-13-6-4-8/h1-2,8-9,13-14H,3-7H2
InChIKeyUCJOFHHNYBLHKA-UHFFFAOYSA-N
XLogP2.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-2-piperidin-4-ylethanol?
The IUPAC name of 2-(5-bromothiophen-2-yl)-2-piperidin-4-ylethanol (CID 116825149) is 2-(5-bromothiophen-2-yl)-2-piperidin-4-ylethanol.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-2-piperidin-4-ylethanol?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-2-piperidin-4-ylethanol is OCC(c1ccc(Br)s1)C1CCNCC1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-2-piperidin-4-ylethanol?
The InChIKey is UCJOFHHNYBLHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c12-11-2-1-10(15-11)9(7-14)8-3-5-13-6-4-8/h1-2,8-9,13-14H,3-7H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-2-piperidin-4-ylethanol?
2-(5-bromothiophen-2-yl)-2-piperidin-4-ylethanol has a molecular weight of 290.23 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-2-piperidin-4-ylethanol is sourced from PubChem (CID 116825149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).